2-N,2-N,2-trimethyl-3-N-propylpent-4-ene-2,3-diamine

C11H24N2 — CID 79053028

IUPAC2-N,2-N,2-trimethyl-3-N-propylpent-4-ene-2,3-diamine
SMILESC=CC(NCCC)C(C)(C)N(C)C
InChIInChI=1S/C11H24N2/c1-7-9-12-10(8-2)11(3,4)13(5)6/h8,10,12H,2,7,9H2,1,3-6H3
InChIKeyMJSRKLDEDQFVOE-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.88
Rot. Bonds6

About 2-N,2-N,2-trimethyl-3-N-propylpent-4-ene-2,3-diamine

2-N,2-N,2-trimethyl-3-N-propylpent-4-ene-2,3-diamine (PubChem CID 79053028) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-3-N-propylpent-4-ene-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-3-N-propylpent-4-ene-2,3-diamine
PubChem CID79053028
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name2-N,2-N,2-trimethyl-3-N-propylpent-4-ene-2,3-diamine
SMILESC=CC(NCCC)C(C)(C)N(C)C
InChIInChI=1S/C11H24N2/c1-7-9-12-10(8-2)11(3,4)13(5)6/h8,10,12H,2,7,9H2,1,3-6H3
InChIKeyMJSRKLDEDQFVOE-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-3-N-propylpent-4-ene-2,3-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-3-N-propylpent-4-ene-2,3-diamine (CID 79053028) is 2-N,2-N,2-trimethyl-3-N-propylpent-4-ene-2,3-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-3-N-propylpent-4-ene-2,3-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-3-N-propylpent-4-ene-2,3-diamine is C=CC(NCCC)C(C)(C)N(C)C.
What is the InChIKey of 2-N,2-N,2-trimethyl-3-N-propylpent-4-ene-2,3-diamine?
The InChIKey is MJSRKLDEDQFVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-7-9-12-10(8-2)11(3,4)13(5)6/h8,10,12H,2,7,9H2,1,3-6H3.
What are the key properties of 2-N,2-N,2-trimethyl-3-N-propylpent-4-ene-2,3-diamine?
2-N,2-N,2-trimethyl-3-N-propylpent-4-ene-2,3-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-3-N-propylpent-4-ene-2,3-diamine is sourced from PubChem (CID 79053028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).